Geometry & MOs

Info

ID:	340988
PubChem CID:	127263423
Reduced:	SN3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	400.195799
ΔH_f, kcal/mol:	39.98
Dipole, Da:	3.34
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-methylpropyl)-4-oxo-1,3,7-triazaspiro[4.4]non-1-en-2-yl]carbamate;oxalic acid

Drug info:

PubChemData

Smile

CNC1=NC=C(S1)C2=CCNCC2

DOS

IR

Vibrations